@<TRIPOS>MOLECULE
BindingDB_18782
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.2794    3.8375   14.7661  C     
2    C        28.7275    3.9026   13.4736  C     
3    C        28.9674    2.8729   12.5454  C     
4    C        29.6093    1.7018   12.9945  C     
5    C        30.1387    1.6370   14.2944  C     
6    C        30.0837    2.7427   15.1811  C     
7    C        28.7389    3.0524   11.1568  C     
8    C        27.9672    2.1168   10.4187  C     
9    C        28.5648    3.1674    8.3804  C     
10   C        29.3922    4.0875   10.4199  C     
11   N        27.2750    1.1052   10.9747  N     
12   N        28.5370    3.2022    7.0396  N     
13   N        27.9111    2.2032    9.0662  N     
14   N        29.2699    4.0918    9.0657  N     
15   C        30.2340    5.1830   10.9877  C     
16   C        31.5256    4.7055   11.6902  C     
17   C        30.9240    2.7444   16.4493  C     
18   C        32.4350    2.5212   16.0845  C     
19   C        30.8737    4.0930   17.2540  C     
20   C        30.4413    1.5952   17.3926  C     
21   H        29.1308    4.6444   15.3693  H     
22   H        28.2188    4.7443   13.1894  H     
23   H        29.7833    0.9244   12.3513  H     
24   H        30.6502    0.7922   14.5519  H     
25   H        26.7822    0.4989   10.4003  H     
26   H        27.2457    0.9771   11.9361  H     
27   H        29.0391    3.8781    6.5559  H     
28   H        28.0488    2.5247    6.5465  H     
29   H        30.5451    5.8638   10.1881  H     
30   H        29.6388    5.7837   11.6780  H     
31   H        31.3012    4.1663   12.6110  H     
32   H        32.1408    5.5704   11.9491  H     
33   H        32.1022    4.0525   11.0291  H     
34   H        32.6024    1.5353   15.6479  H     
35   H        33.0729    2.5914   16.9688  H     
36   H        32.7706    3.2702   15.3641  H     
37   H        31.2379    4.9221   16.6427  H     
38   H        31.4974    4.0454   18.1500  H     
39   H        29.8553    4.3262   17.5687  H     
40   H        29.3801    1.7150   17.6151  H     
41   H        30.9965    1.6008   18.3332  H     
42   H        30.5786    0.6129   16.9384  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   17 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   15 1
    18   15   16 1
    19   17   18 1
    20   17   19 1
    21   17   20 1
    22    1   21 1
    23    2   22 1
    24    4   23 1
    25    5   24 1
    26   11   25 1
    27   11   26 1
    28   12   27 1
    29   12   28 1
    30   15   29 1
    31   15   30 1
    32   16   31 1
    33   16   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
    37   18   36 1
    38   19   37 1
    39   19   38 1
    40   19   39 1
    41   20   40 1
    42   20   41 1
    43   20   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.1787
  Crash		| -2.0528
  Polar		| 1.4427
  FragIndex	| 1
  FragRMSD	| 0.978